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Home > Encyclopedia > Methotrexate diethyl ester

Methotrexate diethyl ester

Methotrexate diethyl ester structure

Methotrexate diethyl ester 

structure
  • CAS No:

    43170-88-3

  • Formula:

    C24H30N8O5

  • Chemical Name:

    Methotrexate diethyl ester

  • Synonyms:

    L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-,1,5-diethyl ester;L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-,diethyl ester;Methotrexate diethyl ester;Diethyl methotrexate;43111-52-0

Methotrexate diethyl ester Basic Attributes

510.5 g/mol

510.55

256-127-9

JTM482599Z

DTXSID20195760

Characteristics

189 Ų

0.98 (LogP)

Safety Information

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:510.5
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:510.23391609
Monoisotopic Mass:510.23391609
Topological Polar Surface Area:189
Heavy Atom Count:37
Complexity:765
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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